1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one

C13H15NO2 — CID 70514699

IUPAC1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one
SMILESC=CCc1cccc(N2CCCC2=O)c1O
InChIInChI=1S/C13H15NO2/c1-2-5-10-6-3-7-11(13(10)16)14-9-4-8-12(14)15/h2-3,6-7,16H,1,4-5,8-9H2
InChIKeyXBYZJDVOOLWOIO-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.25
Rot. Bonds3

About 1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one

1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one (PubChem CID 70514699) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one
PubChem CID70514699
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one
SMILESC=CCc1cccc(N2CCCC2=O)c1O
InChIInChI=1S/C13H15NO2/c1-2-5-10-6-3-7-11(13(10)16)14-9-4-8-12(14)15/h2-3,6-7,16H,1,4-5,8-9H2
InChIKeyXBYZJDVOOLWOIO-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
1-[2-(hydroxymethyl)phenyl]piperidin-2-one
CID 100933154
1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one
CID 67155260
1-(3-iodo-2-methylphenyl)pyrrolidin-2-one
CID 130498002
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid
CID 107273661
1-[2-(2,2-dimethoxyethyl)phenyl]pyrrolidin-2-one
CID 24790370
2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid
CID 22252981
3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid
CID 90425486
1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
CID 90081953
2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
CID 87289865

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one (CID 70514699) is 1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one is C=CCc1cccc(N2CCCC2=O)c1O.
What is the InChIKey of 1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one?
The InChIKey is XBYZJDVOOLWOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-5-10-6-3-7-11(13(10)16)14-9-4-8-12(14)15/h2-3,6-7,16H,1,4-5,8-9H2.
What are the key properties of 1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one?
1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 70514699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).